Chemical Properties of Carbonochloridic acid, (4-nitrophenyl)methyl ester (CAS 4457-32-3)

Carbonochloridic acid, (4-nitrophenyl)methyl ester

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InChI
InChI=1S/C8H6ClNO4/c9-8(11)14-5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2
InChI Key
MHSGOABISYIYKP-UHFFFAOYSA-N
Formula
C8H6ClNO4
SMILES
O=C(Cl)OCc1ccc([N+](=O)[O-])cc1
Molecular Weight1
215.59
CAS
4457-32-3
Other Names
  • 4-Nitrobenzyl chloroformate
  • 4-Nitrobenzyloxycarbonyl chloride
  • Chloroformic acid p-nitrobenzyl ester
  • Formic acid, chloro-, p-nitrobenzyl ester
  • p-Nitrobenzyl chloroformate
  • p-Nitrobenzyloxycarbonyl chloride
  • p-Nitrocarbobenzoxy chloride
Sources

Physical Properties

Property Value Unit Source
Δf -91.04 kJ/mol Joback Calculated Property
Δfgas -254.69 kJ/mol Joback Calculated Property
Δfus 28.47 kJ/mol Joback Calculated Property
Δvap 66.47 kJ/mol Joback Calculated Property
logPoct/wat 2.470 Crippen Calculated Property
Pc 3677.55 kPa Joback Calculated Property
Tboil 679.66 K Joback Calculated Property
Tc 929.97 K Joback Calculated Property
Tfus 464.55 K Joback Calculated Property
Vc 0.530 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 318.83 J/mol×K 679.66 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 1
>C=O (nonring) 1

Similar Compounds

4-NO2-C6H4CH2OH. Glutaric acid, di(4-nitrobenzyl) ester. Methyl p-nitro benzoate. Benzoic acid, 4-nitro-, methyl ester. Benzoic acid, 4-nitro-, phenylmethyl ester. Glutaric acid, ethyl 4-nitrobenzyl ester. Sebacic acid, ethyl 4-nitrobenzyl ester. Glutaric acid, 4-nitrobenzyl propyl ester. Glutaric acid, butyl 4-nitrobenzyl ester. Benzoic acid, 4-nitro-. Glutaric acid, 4-nitrobenzyl pentyl ester. Ethyl 4-nitrobenzoate. Formic acid, (3-methyl-4-nitrophenyl)methyl ester. Succinic acid, butyl 4-nitrobenzyl ester. Glutaric acid, heptyl 4-nitrobenzyl ester.

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